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An Integrated Molecular Dynamics and Monte Carlo Approach to Study Epitaxial Deposition of Silicon

  • Sweta Somasi (a1), Bamin Khomami (a1) and Ronald Lovett (a2)

Abstract

The length and time scales of an atomistic simulation are often too small for any direct comparison with experimental observations. In order to study the coverage of pits (COPs) found on the Si (100) surface by epitaxial deposition, we first calculate rate of individual steps using molecular dynamics and then define a sequence of Monte-Carlo steps to study the effect of various factors on effective coverage of COPs.

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1. Mo, Y. W. and Lagally, M. G., Surface Science 248, 313 (1991).
2. Zhang, Z. Y., Lu, Y. T. and Metiu, H., Surface Science 248, L250 (1991).
3. Somasi, S., Khomami, B. and R. Lovett J. Chem. Phys. 113, 4320 (2000).
4. Stillinger, F. H. and Weber, T. A. Phys. Rev. B 31, 5262 (1985).
5. Somasi, S., Khomami, B. and Lovett, R. in preparation.

An Integrated Molecular Dynamics and Monte Carlo Approach to Study Epitaxial Deposition of Silicon

  • Sweta Somasi (a1), Bamin Khomami (a1) and Ronald Lovett (a2)

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